instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_1866>. | The molecule contains the following groups: Carboxylic Acid, Thiol. | |
Provide a comprehensive chemical profile for the building block <BB_1866>. | **Token:** <BB_1866>
**SMILES:** C=CCn1c(S)nc2cc(C(=O)O)ccc2c1=O
**Molecular Formula:** C12H10N2O3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Thiol | |
Provide the SMILES representation for the building block token <BB_1867>. | CSc1cnc(N)c(C)c1 | |
What is the building block token for the following molecule? | CSc1cnc(N)c(C)c1 | <BB_1867> |
What is the molecular formula for <BB_1867>? | The molecular formula for <BB_1867> (CSc1cnc(N)c(C)c1) is C7H10N2S. | |
Describe the ring structures in building block <BB_1867>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1867>. | The molecule contains the following groups: Amine, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_1867>. | **Token:** <BB_1867>
**SMILES:** CSc1cnc(N)c(C)c1
**Molecular Formula:** C7H10N2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Sulfide | |
Provide the SMILES representation for the building block token <BB_1868>. | NCc1ccc(C2CCCCC2)cc1 | |
What is the building block token for the following molecule? | NCc1ccc(C2CCCCC2)cc1 | <BB_1868> |
What is the molecular formula for <BB_1868>? | The molecular formula for <BB_1868> (NCc1ccc(C2CCCCC2)cc1) is C13H19N. | |
Describe the ring structures in building block <BB_1868>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1868>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1868>. | **Token:** <BB_1868>
**SMILES:** NCc1ccc(C2CCCCC2)cc1
**Molecular Formula:** C13H19N
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_1869>. | COC1CN(C)C(C)(C(=O)O)C1.Cl | |
What is the building block token for the following molecule? | COC1CN(C)C(C)(C(=O)O)C1.Cl | <BB_1869> |
What is the molecular formula for <BB_1869>? | The molecular formula for <BB_1869> (COC1CN(C)C(C)(C(=O)O)C1.Cl) is C8H16ClNO3. | |
Describe the ring structures in building block <BB_1869>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1869>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1869>. | **Token:** <BB_1869>
**SMILES:** COC1CN(C)C(C)(C(=O)O)C1.Cl
**Molecular Formula:** C8H16ClNO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1870>. | Brc1cc(-c2ccccc2)n[nH]1.Cl | |
What is the building block token for the following molecule? | Brc1cc(-c2ccccc2)n[nH]1.Cl | <BB_1870> |
What is the molecular formula for <BB_1870>? | The molecular formula for <BB_1870> (Brc1cc(-c2ccccc2)n[nH]1.Cl) is C9H8BrClN2. | |
Describe the ring structures in building block <BB_1870>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1870>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1870>. | **Token:** <BB_1870>
**SMILES:** Brc1cc(-c2ccccc2)n[nH]1.Cl
**Molecular Formula:** C9H8BrClN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1871>. | O=C(O)c1cnc(C2CCOCC2)s1 | |
What is the building block token for the following molecule? | O=C(O)c1cnc(C2CCOCC2)s1 | <BB_1871> |
What is the molecular formula for <BB_1871>? | The molecular formula for <BB_1871> (O=C(O)c1cnc(C2CCOCC2)s1) is C9H11NO3S. | |
Describe the ring structures in building block <BB_1871>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1871>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1871>. | **Token:** <BB_1871>
**SMILES:** O=C(O)c1cnc(C2CCOCC2)s1
**Molecular Formula:** C9H11NO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_1872>. | CC(=O)NC1(c2nc(C)no2)CCNC1.Cl | |
What is the building block token for the following molecule? | CC(=O)NC1(c2nc(C)no2)CCNC1.Cl | <BB_1872> |
What is the molecular formula for <BB_1872>? | The molecular formula for <BB_1872> (CC(=O)NC1(c2nc(C)no2)CCNC1.Cl) is C9H15ClN4O2. | |
Describe the ring structures in building block <BB_1872>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1872>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1872>. | **Token:** <BB_1872>
**SMILES:** CC(=O)NC1(c2nc(C)no2)CCNC1.Cl
**Molecular Formula:** C9H15ClN4O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1873>. | O=NN1CCC(F)(F)C1 | |
What is the building block token for the following molecule? | O=NN1CCC(F)(F)C1 | <BB_1873> |
What is the molecular formula for <BB_1873>? | The molecular formula for <BB_1873> (O=NN1CCC(F)(F)C1) is C4H6F2N2O. | |
Describe the ring structures in building block <BB_1873>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1873>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1873>. | **Token:** <BB_1873>
**SMILES:** O=NN1CCC(F)(F)C1
**Molecular Formula:** C4H6F2N2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1874>. | Cl.Nc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1 | |
What is the building block token for the following molecule? | Cl.Nc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1 | <BB_1874> |
What is the molecular formula for <BB_1874>? | The molecular formula for <BB_1874> (Cl.Nc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1) is C10H8Cl2F3N3. | |
Describe the ring structures in building block <BB_1874>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1874>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1874>. | **Token:** <BB_1874>
**SMILES:** Cl.Nc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1
**Molecular Formula:** C10H8Cl2F3N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1875>. | Cl.N[C@@H](CO)CCCO | |
What is the building block token for the following molecule? | Cl.N[C@@H](CO)CCCO | <BB_1875> |
What is the molecular formula for <BB_1875>? | The molecular formula for <BB_1875> (Cl.N[C@@H](CO)CCCO) is C5H14ClNO2. | |
Describe the ring structures in building block <BB_1875>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1875>. | The molecule contains the following groups: Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1875>. | **Token:** <BB_1875>
**SMILES:** Cl.N[C@@H](CO)CCCO
**Molecular Formula:** C5H14ClNO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1876>. | Cn1cnc2[nH]c(=O)cc(C(=O)O)c21 | |
What is the building block token for the following molecule? | Cn1cnc2[nH]c(=O)cc(C(=O)O)c21 | <BB_1876> |
What is the molecular formula for <BB_1876>? | The molecular formula for <BB_1876> (Cn1cnc2[nH]c(=O)cc(C(=O)O)c21) is C8H7N3O3. | |
Describe the ring structures in building block <BB_1876>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1876>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1876>. | **Token:** <BB_1876>
**SMILES:** Cn1cnc2[nH]c(=O)cc(C(=O)O)c21
**Molecular Formula:** C8H7N3O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1877>. | Cl.Nc1cc(C(F)(F)F)ncc1Cl | |
What is the building block token for the following molecule? | Cl.Nc1cc(C(F)(F)F)ncc1Cl | <BB_1877> |
What is the molecular formula for <BB_1877>? | The molecular formula for <BB_1877> (Cl.Nc1cc(C(F)(F)F)ncc1Cl) is C6H5Cl2F3N2. | |
Describe the ring structures in building block <BB_1877>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1877>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1877>. | **Token:** <BB_1877>
**SMILES:** Cl.Nc1cc(C(F)(F)F)ncc1Cl
**Molecular Formula:** C6H5Cl2F3N2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1878>. | Cl.FC1(F)CC1C1CNCCO1 | |
What is the building block token for the following molecule? | Cl.FC1(F)CC1C1CNCCO1 | <BB_1878> |
What is the molecular formula for <BB_1878>? | The molecular formula for <BB_1878> (Cl.FC1(F)CC1C1CNCCO1) is C7H12ClF2NO. | |
Describe the ring structures in building block <BB_1878>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1878>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1878>. | **Token:** <BB_1878>
**SMILES:** Cl.FC1(F)CC1C1CNCCO1
**Molecular Formula:** C7H12ClF2NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1879>. | CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)O | <BB_1879> |
What is the molecular formula for <BB_1879>? | The molecular formula for <BB_1879> (CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)O) is C11H19NO4. | |
Describe the ring structures in building block <BB_1879>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1879>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1879>. | **Token:** <BB_1879>
**SMILES:** CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)O
**Molecular Formula:** C11H19NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1880>. | CCOC(=O)C1CC1CCCBr | |
What is the building block token for the following molecule? | CCOC(=O)C1CC1CCCBr | <BB_1880> |
What is the molecular formula for <BB_1880>? | The molecular formula for <BB_1880> (CCOC(=O)C1CC1CCCBr) is C9H15BrO2. | |
Describe the ring structures in building block <BB_1880>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1880>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1880>. | **Token:** <BB_1880>
**SMILES:** CCOC(=O)C1CC1CCCBr
**Molecular Formula:** C9H15BrO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1881>. | C#CC1(F)CCN(C(=O)OC(C)(C)C)C1 | |
What is the building block token for the following molecule? | C#CC1(F)CCN(C(=O)OC(C)(C)C)C1 | <BB_1881> |
What is the molecular formula for <BB_1881>? | The molecular formula for <BB_1881> (C#CC1(F)CCN(C(=O)OC(C)(C)C)C1) is C11H16FNO2. | |
Describe the ring structures in building block <BB_1881>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1881>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1881>. | **Token:** <BB_1881>
**SMILES:** C#CC1(F)CCN(C(=O)OC(C)(C)C)C1
**Molecular Formula:** C11H16FNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1882>. | CCOC(=O)C(Br)CC(Br)C(=O)OCC | |
What is the building block token for the following molecule? | CCOC(=O)C(Br)CC(Br)C(=O)OCC | <BB_1882> |
What is the molecular formula for <BB_1882>? | The molecular formula for <BB_1882> (CCOC(=O)C(Br)CC(Br)C(=O)OCC) is C9H14Br2O4. | |
Describe the ring structures in building block <BB_1882>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1882>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1882>. | **Token:** <BB_1882>
**SMILES:** CCOC(=O)C(Br)CC(Br)C(=O)OCC
**Molecular Formula:** C9H14Br2O4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1883>. | Cc1cc(CS)no1 | |
What is the building block token for the following molecule? | Cc1cc(CS)no1 | <BB_1883> |
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